SCHEMBL12855853

SCHEMBL12855853

CCCCS(=O)(=O)c1ccc(-c2ccc(CCO)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
RARB P10826 6/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
RARA P10276 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45
FDFT1 P37268 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5325324 0.85 CA2 (0.56) CA2SMN1; SMN2CA12CA1CA4
SCHEMBL1128041 0.84 KCNH2 (0.58) CA2SMN1; SMN2CA12CA1CA4
SCHEMBL12855898 0.80 CA2 (0.45) CA2SMN1; SMN2RARBKCNH2ALDH1A1
SCHEMBL28163819 0.79 CA2 (0.62) CA2SMN1; SMN2CA12CA1CA4
SCHEMBL2704194 0.78 HDAC1 (0.56) CA2CA12CA1CA9ALDH1A1
SCHEMBL10300267 0.78 THRB (0.55) CA2SMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL95658 0.78 CA2 (0.63) CA2SMN1; SMN2CA12CA1CA4
SCHEMBL9813451 0.78 CA2 (0.51) CA2CA12CA1CA4CA6
SCHEMBL9813465 0.77 ALDH1A1 (0.48) CA2CA12CA1CA4CA6
SCHEMBL2947946 0.77 CA2 (0.61) CA2SMN1; SMN2CA12CA1CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110040105-A1 PROCESSES USEFUL FOR THE SYNTHESIS OF (R)-1--2-METHYL-PYRROLIDINE ARENA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110040105-A1 PROCESSES USEFUL FOR THE SYNTHESIS OF (R)-1--2-METHYL-PYRROLIDINE DHPS, MRM1, ALDH18A1 CA2 4398/4885SMN1; SMN2 1898/4885CA12 4188/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.